Self-diffusion of fluids in narrow cylindrical pores
Abstract
Fluids under stochastic dynamics in narrow cylindrical pores exhibit a dynamical transition from single-file diffusion (SFD) to Fickian bulk diffusion. For long time, the mean square displacement will change as the pore size increases, with a transition from SFD, ∼t1/2, to Fickian, ∼t, while the diffusion coefficient (Dxx) increases from zero. We present a theory of this important process in terms of a hopping time, τhop, leading to Dxx∝(τhop)-1/2 which is verified with simulation. While the crossover is to be expected, the simple form is a priori unanticipated and is likely to be universal.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- August 2002
- DOI:
- 10.1063/1.1490337
- Bibcode:
- 2002JChPh.117.2289M
- Keywords:
-
- self-diffusion;
- liquid theory;
- statistical mechanics;
- flow through porous media;
- digital simulation;
- Monte Carlo methods;
- Classical Mechanics;
- Computerized Simulation;
- Cylindrical Bodies;
- Diffusion;
- Digital Simulation;
- Monte Carlo Method;
- Statistical Mechanics;
- Stochastic Processes;
- 61.20.Ja;
- 51.10.+y;
- 05.20.-y;
- 47.55.Mh;
- Solid-State Physics;
- Computer simulation of liquid structure;
- Kinetic and transport theory of gases;
- Classical statistical mechanics